Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:02 UTC
Update Date2025-03-25 00:54:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208190
Frequency0.5
Structure
Chemical FormulaC10H11NO2
Molecular Mass177.079
SMILESCC(C=O)C(=O)c1ccccc1N
InChI KeyPKCQWCYLJWHZNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • aldehydes
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylpropanes
  • primary amines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • aldehyde
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • alkyl-phenylketone